Molecule

ID:40541

General Information
Structure
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c18-13-10-15(14(19)16-13)6-8-17(9-7-15)11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,18,19)
InChIKey
ZGADWVQZLQNWHP-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)CC21CCN(CC2)Cc1ccccc1
Isomeric Smiles
N1C(=O)C2(CC1=O)CCN(Cc1ccccc1)CC2
Calculated Properties
JChem
Acid pKa
10.486714
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.134918
LogD (pH = 7.4)
-0.54979724
Log P
0.8606595
Molar Refractivity
72.4944
Polarizability
28.248741
Polar Surface Area
49.41
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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